(2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

C18H23N3O2 — CID 4567474

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CC(C)OC(C)C3)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-12-9-13(2)21(19-12)17-7-5-16(6-8-17)18(22)20-10-14(3)23-15(4)11-20/h5-9,14-15H,10-11H2,1-4H3
InChIKeyVEHAJOVWIAWYOP-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.74
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone (PubChem CID 4567474) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
PubChem CID4567474
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CC(C)OC(C)C3)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-12-9-13(2)21(19-12)17-7-5-16(6-8-17)18(22)20-10-14(3)23-15(4)11-20/h5-9,14-15H,10-11H2,1-4H3
InChIKeyVEHAJOVWIAWYOP-UHFFFAOYSA-N
XLogP2.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone (CID 4567474) is (2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CC(C)OC(C)C3)cc2)n1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
The InChIKey is VEHAJOVWIAWYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-9-13(2)21(19-12)17-7-5-16(6-8-17)18(22)20-10-14(3)23-15(4)11-20/h5-9,14-15H,10-11H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 4567474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).